2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide

C22H27N5O2S — CID 51363527

IUPAC2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide
SMILESCC1CCCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)C1
InChIInChI=1S/C22H27N5O2S/c1-16-7-6-12-26(13-16)22-25-20-19(30-22)21(29)27(15-24-20)14-18(28)23-11-5-10-17-8-3-2-4-9-17/h2-4,8-9,15-16H,5-7,10-14H2,1H3,(H,23,28)
InChIKeyVSCTXDPTQWRAAG-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.84
Rot. Bonds7

About 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide

2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 51363527) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide
PubChem CID51363527
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide
SMILESCC1CCCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)C1
InChIInChI=1S/C22H27N5O2S/c1-16-7-6-12-26(13-16)22-25-20-19(30-22)21(29)27(15-24-20)14-18(28)23-11-5-10-17-8-3-2-4-9-17/h2-4,8-9,15-16H,5-7,10-14H2,1H3,(H,23,28)
InChIKeyVSCTXDPTQWRAAG-UHFFFAOYSA-N
XLogP2.84
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 95182085
2-[2-[(3R)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 95182084
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182035
N-[(4-fluorophenyl)methyl]-2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182097
(3S)-N-ethyl-1-[7-oxo-6-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 95182141
N-(2-methoxyphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182024
N-(4-fluorophenyl)-2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 51363498
N-(3-methylphenyl)-2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182058
2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51363496
N-(4-methoxyphenyl)-2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 51363497
N-(3-acetylphenyl)-2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182105
N-(2,5-difluorophenyl)-2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide (CID 51363527) is 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide is CC1CCCN(c2nc3ncn(CC(=O)NCCCc4ccccc4)c(=O)c3s2)C1.
What is the InChIKey of 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is VSCTXDPTQWRAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-16-7-6-12-26(13-16)22-25-20-19(30-22)21(29)27(15-24-20)14-18(28)23-11-5-10-17-8-3-2-4-9-17/h2-4,8-9,15-16H,5-7,10-14H2,1H3,(H,23,28).
What are the key properties of 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide?
2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 425.56 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpiperidin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 51363527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).